2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

C11H16F3NO4 — CID 43655307

IUPAC2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-4-3-9(16)15(6-10(17)18)5-8-1-2-8/h8H,1-7H2,(H,17,18)
InChIKeyIEDNOQMEJQAQRW-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (PubChem CID 43655307) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
PubChem CID43655307
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-4-3-9(16)15(6-10(17)18)5-8-1-2-8/h8H,1-7H2,(H,17,18)
InChIKeyIEDNOQMEJQAQRW-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[Methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 43356205
Ethyl 2-[cyclopropylmethyl(3,3,3-trifluoropropanoyl)amino]acetate
CID 51100521
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54901511
2-[Butan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54925780
2-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 54946251
2-[Cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]acetic acid
CID 54961926
2-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 60831042
2-[Propyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61013011
2-[Cyclopropylmethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
CID 61171766
Ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 61410597
2-[2-Methoxyethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid
CID 61537371
2-[Ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62819463

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid (CID 43655307) is 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
The InChIKey is IEDNOQMEJQAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-4-3-9(16)15(6-10(17)18)5-8-1-2-8/h8H,1-7H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 43655307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).